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Chemical ID: 5175604
Chemical ID:
5175604
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C19H18N2O2S2/c1-11-6-8-12(9-7-11)14(22)10-24-19-20-17(23)16-13-4-2-3-5-15(13)25-18(16)21-19/h6-9H,2-5,10H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,3,7,4,6,10,2,5,17,8,18,16,14,20,12,13,21,9,15,11,19/E:(6,7)(8,9)/rA:25nCCCCCCCCOCSCNCOCCCSCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d16s19;d12s20;s18;s22;s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.506 |
Area: | 568.01 |
Solvation: | -2.6942 |
Coulombic: | -36.5911 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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